USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0872 (180deg=-0.556) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.151 (180deg=-0.17) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -9.93! C(o=-9.9!,f=-6.6!) USER MOD Single : A 12 ASN : amide:sc= -0.744 K(o=-0.74,f=-1.8) USER MOD Single : A 14 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.34) USER MOD Single : A 26 ASN : amide:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=-0.49) USER MOD Single : A 32 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.37) USER MOD Single : A 33 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-4.2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.62) USER MOD Single : A 37 MET CE :methyl -111:sc=-0.00566 (180deg=-0.0846) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.931) USER MOD Single : A 52 THR OG1 : rot 89:sc= 0.438 USER MOD Single : A 56 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.17) USER MOD Single : A 64 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.3) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 54:sc= -0.839! USER MOD Single : A 76 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.184 18.656 -5.561 1.00 0.00 N ATOM 2 CA MET A 1 0.014 17.522 -4.614 1.00 0.00 C ATOM 3 C MET A 1 0.476 18.061 -3.260 1.00 0.00 C ATOM 4 O MET A 1 0.912 19.189 -3.146 1.00 0.00 O ATOM 5 CB MET A 1 1.077 16.571 -5.171 1.00 0.00 C ATOM 6 CG MET A 1 0.575 15.950 -6.474 1.00 0.00 C ATOM 7 SD MET A 1 1.531 16.608 -7.863 1.00 0.00 S ATOM 8 CE MET A 1 0.126 17.130 -8.875 1.00 0.00 C ATOM 0 H1 MET A 1 -1.184 18.702 -5.843 1.00 0.00 H new ATOM 0 H2 MET A 1 0.087 19.547 -5.097 1.00 0.00 H new ATOM 0 H3 MET A 1 0.407 18.511 -6.404 1.00 0.00 H new ATOM 0 HA MET A 1 -0.927 16.986 -4.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.007 17.112 -5.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.297 15.789 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.672 14.865 -6.433 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.484 16.171 -6.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.431 17.187 -9.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.684 16.408 -8.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.217 18.110 -8.544 1.00 0.00 H new ATOM 20 N SER A 2 0.387 17.263 -2.231 1.00 0.00 N ATOM 21 CA SER A 2 0.824 17.732 -0.887 1.00 0.00 C ATOM 22 C SER A 2 0.571 16.632 0.146 1.00 0.00 C ATOM 23 O SER A 2 1.294 16.498 1.113 1.00 0.00 O ATOM 24 CB SER A 2 0.038 18.987 -0.501 1.00 0.00 C ATOM 25 OG SER A 2 -1.153 18.606 0.175 1.00 0.00 O ATOM 0 H SER A 2 0.031 16.308 -2.264 1.00 0.00 H new ATOM 0 HA SER A 2 1.888 17.966 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.645 19.627 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.205 19.566 -1.392 1.00 0.00 H new ATOM 0 HG SER A 2 -1.658 19.408 0.425 1.00 0.00 H new ATOM 31 N SER A 3 -0.450 15.843 -0.051 1.00 0.00 N ATOM 32 CA SER A 3 -0.747 14.753 0.921 1.00 0.00 C ATOM 33 C SER A 3 0.214 13.590 0.688 1.00 0.00 C ATOM 34 O SER A 3 0.682 13.388 -0.411 1.00 0.00 O ATOM 35 CB SER A 3 -2.185 14.260 0.715 1.00 0.00 C ATOM 36 OG SER A 3 -3.092 15.263 1.154 1.00 0.00 O ATOM 0 H SER A 3 -1.091 15.906 -0.842 1.00 0.00 H new ATOM 0 HA SER A 3 -0.630 15.133 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.357 14.033 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.349 13.337 1.271 1.00 0.00 H new ATOM 0 HG SER A 3 -4.012 14.952 1.023 1.00 0.00 H new ATOM 42 N LEU A 4 0.506 12.817 1.708 1.00 0.00 N ATOM 43 CA LEU A 4 1.421 11.661 1.532 1.00 0.00 C ATOM 44 C LEU A 4 1.030 10.542 2.485 1.00 0.00 C ATOM 45 O LEU A 4 0.484 10.767 3.537 1.00 0.00 O ATOM 46 CB LEU A 4 2.855 12.075 1.806 1.00 0.00 C ATOM 47 CG LEU A 4 2.905 13.025 3.003 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.651 12.234 4.288 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.287 13.679 3.079 1.00 0.00 C ATOM 0 H LEU A 4 0.146 12.943 2.654 1.00 0.00 H new ATOM 0 HA LEU A 4 1.341 11.310 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.465 11.194 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.276 12.562 0.927 1.00 0.00 H new ATOM 0 HG LEU A 4 2.142 13.795 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.686 12.909 5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.669 11.763 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.416 11.466 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.323 14.356 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.049 12.908 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.475 14.239 2.163 1.00 0.00 H new ATOM 61 N VAL A 5 1.315 9.333 2.112 1.00 0.00 N ATOM 62 CA VAL A 5 0.958 8.169 2.980 1.00 0.00 C ATOM 63 C VAL A 5 2.234 7.510 3.483 1.00 0.00 C ATOM 64 O VAL A 5 3.325 7.887 3.120 1.00 0.00 O ATOM 65 CB VAL A 5 0.172 7.159 2.144 1.00 0.00 C ATOM 66 CG1 VAL A 5 -0.550 6.171 3.054 1.00 0.00 C ATOM 67 CG2 VAL A 5 -0.853 7.901 1.294 1.00 0.00 C ATOM 0 H VAL A 5 1.783 9.092 1.238 1.00 0.00 H new ATOM 0 HA VAL A 5 0.359 8.504 3.827 1.00 0.00 H new ATOM 0 HB VAL A 5 0.863 6.612 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.106 5.457 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.179 5.638 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.240 6.711 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.416 7.185 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.536 8.448 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.340 8.601 0.634 1.00 0.00 H new ATOM 77 N TYR A 6 2.111 6.519 4.308 1.00 0.00 N ATOM 78 CA TYR A 6 3.326 5.831 4.808 1.00 0.00 C ATOM 79 C TYR A 6 3.017 4.340 4.928 1.00 0.00 C ATOM 80 O TYR A 6 1.954 3.951 5.354 1.00 0.00 O ATOM 81 CB TYR A 6 3.719 6.406 6.172 1.00 0.00 C ATOM 82 CG TYR A 6 4.644 5.448 6.888 1.00 0.00 C ATOM 83 CD1 TYR A 6 4.111 4.422 7.678 1.00 0.00 C ATOM 84 CD2 TYR A 6 6.032 5.584 6.760 1.00 0.00 C ATOM 85 CE1 TYR A 6 4.965 3.533 8.341 1.00 0.00 C ATOM 86 CE2 TYR A 6 6.886 4.694 7.423 1.00 0.00 C ATOM 87 CZ TYR A 6 6.352 3.669 8.214 1.00 0.00 C ATOM 88 OH TYR A 6 7.194 2.791 8.866 1.00 0.00 O ATOM 0 H TYR A 6 1.225 6.154 4.658 1.00 0.00 H new ATOM 0 HA TYR A 6 4.158 5.980 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.210 7.370 6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.827 6.581 6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.041 4.317 7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.443 6.375 6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.554 2.742 8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.956 4.798 7.324 1.00 0.00 H new ATOM 0 HH TYR A 6 8.125 3.025 8.671 1.00 0.00 H new ATOM 98 N ILE A 7 3.930 3.505 4.541 1.00 0.00 N ATOM 99 CA ILE A 7 3.679 2.043 4.620 1.00 0.00 C ATOM 100 C ILE A 7 5.023 1.324 4.672 1.00 0.00 C ATOM 101 O ILE A 7 6.023 1.847 4.228 1.00 0.00 O ATOM 102 CB ILE A 7 2.913 1.609 3.369 1.00 0.00 C ATOM 103 CG1 ILE A 7 3.857 1.667 2.161 1.00 0.00 C ATOM 104 CG2 ILE A 7 1.732 2.558 3.137 1.00 0.00 C ATOM 105 CD1 ILE A 7 3.049 1.639 0.863 1.00 0.00 C ATOM 0 H ILE A 7 4.843 3.770 4.172 1.00 0.00 H new ATOM 0 HA ILE A 7 3.096 1.800 5.508 1.00 0.00 H new ATOM 0 HB ILE A 7 2.540 0.593 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.460 2.574 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.547 0.824 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.186 2.249 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.066 2.527 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.103 3.574 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.728 1.681 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.465 0.720 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.377 2.497 0.834 1.00 0.00 H new ATOM 117 N ALA A 8 5.072 0.137 5.203 1.00 0.00 N ATOM 118 CA ALA A 8 6.382 -0.570 5.256 1.00 0.00 C ATOM 119 C ALA A 8 6.161 -2.051 5.535 1.00 0.00 C ATOM 120 O ALA A 8 5.310 -2.430 6.306 1.00 0.00 O ATOM 121 CB ALA A 8 7.246 0.038 6.360 1.00 0.00 C ATOM 0 H ALA A 8 4.278 -0.368 5.597 1.00 0.00 H new ATOM 0 HA ALA A 8 6.888 -0.460 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.204 -0.480 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.412 1.095 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.738 -0.067 7.319 1.00 0.00 H new ATOM 127 N PHE A 9 6.922 -2.895 4.910 1.00 0.00 N ATOM 128 CA PHE A 9 6.748 -4.347 5.139 1.00 0.00 C ATOM 129 C PHE A 9 8.122 -5.007 5.213 1.00 0.00 C ATOM 130 O PHE A 9 9.136 -4.347 5.319 1.00 0.00 O ATOM 131 CB PHE A 9 5.946 -4.953 3.984 1.00 0.00 C ATOM 132 CG PHE A 9 6.200 -4.177 2.720 1.00 0.00 C ATOM 133 CD1 PHE A 9 5.674 -2.891 2.570 1.00 0.00 C ATOM 134 CD2 PHE A 9 6.968 -4.745 1.702 1.00 0.00 C ATOM 135 CE1 PHE A 9 5.916 -2.171 1.398 1.00 0.00 C ATOM 136 CE2 PHE A 9 7.213 -4.028 0.530 1.00 0.00 C ATOM 137 CZ PHE A 9 6.688 -2.738 0.375 1.00 0.00 C ATOM 0 H PHE A 9 7.657 -2.642 4.250 1.00 0.00 H new ATOM 0 HA PHE A 9 6.212 -4.513 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.227 -5.997 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.882 -4.939 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.081 -2.454 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.373 -5.739 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.508 -1.178 1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.807 -4.467 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.878 -2.182 -0.531 1.00 0.00 H new ATOM 147 N GLN A 10 8.163 -6.304 5.160 1.00 0.00 N ATOM 148 CA GLN A 10 9.467 -7.013 5.226 1.00 0.00 C ATOM 149 C GLN A 10 9.304 -8.376 4.572 1.00 0.00 C ATOM 150 O GLN A 10 8.896 -9.334 5.205 1.00 0.00 O ATOM 151 CB GLN A 10 9.906 -7.188 6.683 1.00 0.00 C ATOM 152 CG GLN A 10 11.427 -7.347 6.743 1.00 0.00 C ATOM 153 CD GLN A 10 11.815 -8.764 6.321 1.00 0.00 C ATOM 154 OE1 GLN A 10 12.090 -9.605 7.153 1.00 0.00 O ATOM 155 NE2 GLN A 10 11.850 -9.064 5.053 1.00 0.00 N ATOM 0 H GLN A 10 7.346 -6.908 5.073 1.00 0.00 H new ATOM 0 HA GLN A 10 10.228 -6.431 4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.596 -6.325 7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.421 -8.062 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.904 -6.619 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.783 -7.148 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.619 -8.357 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.108 -10.006 4.759 1.00 0.00 H new ATOM 164 N ASP A 11 9.611 -8.456 3.306 1.00 0.00 N ATOM 165 CA ASP A 11 9.482 -9.744 2.571 1.00 0.00 C ATOM 166 C ASP A 11 10.877 -10.279 2.250 1.00 0.00 C ATOM 167 O ASP A 11 11.872 -9.757 2.711 1.00 0.00 O ATOM 168 CB ASP A 11 8.713 -9.516 1.266 1.00 0.00 C ATOM 169 CG ASP A 11 7.412 -8.764 1.557 1.00 0.00 C ATOM 170 OD1 ASP A 11 7.432 -7.887 2.405 1.00 0.00 O ATOM 171 OD2 ASP A 11 6.417 -9.077 0.924 1.00 0.00 O ATOM 0 H ASP A 11 9.949 -7.675 2.745 1.00 0.00 H new ATOM 0 HA ASP A 11 8.943 -10.464 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.325 -8.946 0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.493 -10.472 0.791 1.00 0.00 H new ATOM 176 N ASN A 12 10.965 -11.308 1.452 1.00 0.00 N ATOM 177 CA ASN A 12 12.304 -11.858 1.101 1.00 0.00 C ATOM 178 C ASN A 12 13.020 -10.882 0.157 1.00 0.00 C ATOM 179 O ASN A 12 13.509 -9.854 0.579 1.00 0.00 O ATOM 180 CB ASN A 12 12.139 -13.221 0.425 1.00 0.00 C ATOM 181 CG ASN A 12 13.515 -13.768 0.042 1.00 0.00 C ATOM 182 OD1 ASN A 12 14.498 -13.483 0.698 1.00 0.00 O ATOM 183 ND2 ASN A 12 13.630 -14.545 -1.000 1.00 0.00 N ATOM 0 H ASN A 12 10.171 -11.789 1.030 1.00 0.00 H new ATOM 0 HA ASN A 12 12.899 -11.984 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.634 -13.914 1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.513 -13.126 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.544 -14.913 -1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.806 -14.785 -1.551 1.00 0.00 H new ATOM 190 N ASP A 13 13.089 -11.186 -1.114 1.00 0.00 N ATOM 191 CA ASP A 13 13.778 -10.258 -2.059 1.00 0.00 C ATOM 192 C ASP A 13 13.069 -10.269 -3.419 1.00 0.00 C ATOM 193 O ASP A 13 13.538 -9.681 -4.373 1.00 0.00 O ATOM 194 CB ASP A 13 15.231 -10.704 -2.243 1.00 0.00 C ATOM 195 CG ASP A 13 15.280 -12.221 -2.431 1.00 0.00 C ATOM 196 OD1 ASP A 13 14.588 -12.711 -3.308 1.00 0.00 O ATOM 197 OD2 ASP A 13 16.007 -12.867 -1.695 1.00 0.00 O ATOM 0 H ASP A 13 12.701 -12.030 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 13 13.750 -9.249 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.669 -10.206 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.824 -10.415 -1.375 1.00 0.00 H new ATOM 202 N ASN A 14 11.945 -10.926 -3.519 1.00 0.00 N ATOM 203 CA ASN A 14 11.220 -10.962 -4.820 1.00 0.00 C ATOM 204 C ASN A 14 10.039 -9.992 -4.773 1.00 0.00 C ATOM 205 O ASN A 14 9.923 -9.099 -5.588 1.00 0.00 O ATOM 206 CB ASN A 14 10.705 -12.379 -5.079 1.00 0.00 C ATOM 207 CG ASN A 14 10.221 -12.489 -6.526 1.00 0.00 C ATOM 208 OD1 ASN A 14 10.781 -11.876 -7.414 1.00 0.00 O ATOM 209 ND2 ASN A 14 9.197 -13.249 -6.804 1.00 0.00 N ATOM 0 H ASN A 14 11.499 -11.438 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 14 11.899 -10.670 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.497 -13.105 -4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.891 -12.613 -4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.867 -13.328 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.727 -13.764 -6.059 1.00 0.00 H new ATOM 216 N ALA A 15 9.157 -10.166 -3.827 1.00 0.00 N ATOM 217 CA ALA A 15 7.979 -9.259 -3.730 1.00 0.00 C ATOM 218 C ALA A 15 8.448 -7.824 -3.504 1.00 0.00 C ATOM 219 O ALA A 15 7.907 -6.890 -4.061 1.00 0.00 O ATOM 220 CB ALA A 15 7.091 -9.697 -2.564 1.00 0.00 C ATOM 0 H ALA A 15 9.201 -10.897 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 15 7.410 -9.308 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.229 -9.033 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.749 -10.719 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.661 -9.652 -1.636 1.00 0.00 H new ATOM 226 N ARG A 16 9.448 -7.636 -2.693 1.00 0.00 N ATOM 227 CA ARG A 16 9.941 -6.257 -2.443 1.00 0.00 C ATOM 228 C ARG A 16 10.552 -5.697 -3.730 1.00 0.00 C ATOM 229 O ARG A 16 10.418 -4.528 -4.036 1.00 0.00 O ATOM 230 CB ARG A 16 10.985 -6.289 -1.322 1.00 0.00 C ATOM 231 CG ARG A 16 12.352 -6.697 -1.879 1.00 0.00 C ATOM 232 CD ARG A 16 13.391 -6.641 -0.759 1.00 0.00 C ATOM 233 NE ARG A 16 14.232 -5.412 -0.917 1.00 0.00 N ATOM 234 CZ ARG A 16 14.799 -5.119 -2.060 1.00 0.00 C ATOM 235 NH1 ARG A 16 14.799 -5.980 -3.044 1.00 0.00 N ATOM 236 NH2 ARG A 16 15.417 -3.977 -2.200 1.00 0.00 N ATOM 0 H ARG A 16 9.944 -8.375 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 16 9.116 -5.614 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.054 -5.308 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.676 -6.992 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.302 -7.703 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.640 -6.030 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.895 -6.632 0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 16 14.020 -7.531 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 16 14.366 -4.791 -0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.354 -6.890 -2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.244 -5.741 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.456 -3.319 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.861 -3.743 -3.088 1.00 0.00 H new ATOM 250 N TYR A 17 11.213 -6.526 -4.491 1.00 0.00 N ATOM 251 CA TYR A 17 11.822 -6.047 -5.763 1.00 0.00 C ATOM 252 C TYR A 17 10.714 -5.565 -6.699 1.00 0.00 C ATOM 253 O TYR A 17 10.820 -4.528 -7.323 1.00 0.00 O ATOM 254 CB TYR A 17 12.582 -7.196 -6.426 1.00 0.00 C ATOM 255 CG TYR A 17 13.630 -6.640 -7.360 1.00 0.00 C ATOM 256 CD1 TYR A 17 14.751 -5.980 -6.843 1.00 0.00 C ATOM 257 CD2 TYR A 17 13.483 -6.790 -8.743 1.00 0.00 C ATOM 258 CE1 TYR A 17 15.725 -5.471 -7.710 1.00 0.00 C ATOM 259 CE2 TYR A 17 14.455 -6.280 -9.611 1.00 0.00 C ATOM 260 CZ TYR A 17 15.577 -5.620 -9.095 1.00 0.00 C ATOM 261 OH TYR A 17 16.538 -5.119 -9.950 1.00 0.00 O ATOM 0 H TYR A 17 11.357 -7.515 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 17 12.510 -5.228 -5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.052 -7.820 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.890 -7.832 -6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 17 14.864 -5.864 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.618 -7.300 -9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.591 -4.963 -7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.340 -6.395 -10.679 1.00 0.00 H new ATOM 0 HH TYR A 17 16.282 -5.308 -10.877 1.00 0.00 H new ATOM 271 N VAL A 18 9.648 -6.310 -6.801 1.00 0.00 N ATOM 272 CA VAL A 18 8.533 -5.893 -7.693 1.00 0.00 C ATOM 273 C VAL A 18 8.047 -4.505 -7.274 1.00 0.00 C ATOM 274 O VAL A 18 7.974 -3.594 -8.074 1.00 0.00 O ATOM 275 CB VAL A 18 7.383 -6.894 -7.575 1.00 0.00 C ATOM 276 CG1 VAL A 18 6.137 -6.324 -8.253 1.00 0.00 C ATOM 277 CG2 VAL A 18 7.779 -8.205 -8.259 1.00 0.00 C ATOM 0 H VAL A 18 9.502 -7.189 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 18 8.881 -5.863 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 18 7.170 -7.080 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.318 -7.038 -8.168 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.855 -5.389 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.349 -6.138 -9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.961 -8.920 -8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.991 -8.017 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.668 -8.613 -7.777 1.00 0.00 H new ATOM 287 N VAL A 19 7.721 -4.333 -6.021 1.00 0.00 N ATOM 288 CA VAL A 19 7.249 -3.001 -5.554 1.00 0.00 C ATOM 289 C VAL A 19 8.366 -1.975 -5.743 1.00 0.00 C ATOM 290 O VAL A 19 8.121 -0.792 -5.852 1.00 0.00 O ATOM 291 CB VAL A 19 6.877 -3.077 -4.073 1.00 0.00 C ATOM 292 CG1 VAL A 19 6.671 -1.663 -3.526 1.00 0.00 C ATOM 293 CG2 VAL A 19 5.583 -3.877 -3.914 1.00 0.00 C ATOM 0 H VAL A 19 7.762 -5.057 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 19 6.374 -2.704 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 19 7.679 -3.567 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.406 -1.716 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.592 -1.091 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.869 -1.173 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.317 -3.932 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.781 -3.386 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.728 -4.884 -4.305 1.00 0.00 H new ATOM 303 N GLU A 20 9.592 -2.420 -5.782 1.00 0.00 N ATOM 304 CA GLU A 20 10.725 -1.470 -5.966 1.00 0.00 C ATOM 305 C GLU A 20 10.646 -0.854 -7.364 1.00 0.00 C ATOM 306 O GLU A 20 10.732 0.347 -7.529 1.00 0.00 O ATOM 307 CB GLU A 20 12.051 -2.218 -5.811 1.00 0.00 C ATOM 308 CG GLU A 20 13.210 -1.289 -6.174 1.00 0.00 C ATOM 309 CD GLU A 20 13.765 -1.678 -7.546 1.00 0.00 C ATOM 310 OE1 GLU A 20 13.261 -1.167 -8.533 1.00 0.00 O ATOM 311 OE2 GLU A 20 14.684 -2.479 -7.587 1.00 0.00 O ATOM 0 H GLU A 20 9.858 -3.401 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 20 10.666 -0.682 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.163 -2.572 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.061 -3.097 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.870 -0.254 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.994 -1.357 -5.420 1.00 0.00 H new ATOM 318 N ALA A 21 10.480 -1.665 -8.373 1.00 0.00 N ATOM 319 CA ALA A 21 10.393 -1.123 -9.759 1.00 0.00 C ATOM 320 C ALA A 21 9.159 -0.228 -9.877 1.00 0.00 C ATOM 321 O ALA A 21 9.184 0.800 -10.526 1.00 0.00 O ATOM 322 CB ALA A 21 10.280 -2.280 -10.754 1.00 0.00 C ATOM 0 H ALA A 21 10.401 -2.679 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 21 11.288 -0.541 -9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.216 -1.884 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.158 -2.920 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.385 -2.862 -10.535 1.00 0.00 H new ATOM 328 N ILE A 22 8.077 -0.610 -9.255 1.00 0.00 N ATOM 329 CA ILE A 22 6.841 0.218 -9.331 1.00 0.00 C ATOM 330 C ILE A 22 7.119 1.602 -8.741 1.00 0.00 C ATOM 331 O ILE A 22 6.779 2.616 -9.320 1.00 0.00 O ATOM 332 CB ILE A 22 5.724 -0.464 -8.539 1.00 0.00 C ATOM 333 CG1 ILE A 22 5.342 -1.775 -9.231 1.00 0.00 C ATOM 334 CG2 ILE A 22 4.503 0.456 -8.479 1.00 0.00 C ATOM 335 CD1 ILE A 22 4.374 -2.558 -8.342 1.00 0.00 C ATOM 0 H ILE A 22 7.996 -1.460 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 22 6.534 0.324 -10.372 1.00 0.00 H new ATOM 0 HB ILE A 22 6.069 -0.672 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.880 -1.568 -10.196 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.235 -2.369 -9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.708 -0.031 -7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.776 1.391 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.154 0.665 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.102 -3.492 -8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.853 -2.777 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.477 -1.964 -8.170 1.00 0.00 H new ATOM 347 N ILE A 23 7.742 1.653 -7.595 1.00 0.00 N ATOM 348 CA ILE A 23 8.046 2.972 -6.974 1.00 0.00 C ATOM 349 C ILE A 23 8.779 3.839 -7.994 1.00 0.00 C ATOM 350 O ILE A 23 8.389 4.956 -8.267 1.00 0.00 O ATOM 351 CB ILE A 23 8.927 2.768 -5.736 1.00 0.00 C ATOM 352 CG1 ILE A 23 8.068 2.253 -4.580 1.00 0.00 C ATOM 353 CG2 ILE A 23 9.570 4.097 -5.334 1.00 0.00 C ATOM 354 CD1 ILE A 23 8.952 2.011 -3.355 1.00 0.00 C ATOM 0 H ILE A 23 8.053 0.840 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 23 7.121 3.462 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 23 9.708 2.043 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.289 2.977 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.567 1.329 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.195 3.947 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.183 4.468 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.791 4.824 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.340 1.644 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.715 1.271 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.432 2.945 -3.062 1.00 0.00 H new ATOM 366 N GLN A 24 9.834 3.333 -8.568 1.00 0.00 N ATOM 367 CA GLN A 24 10.574 4.135 -9.576 1.00 0.00 C ATOM 368 C GLN A 24 9.618 4.495 -10.710 1.00 0.00 C ATOM 369 O GLN A 24 9.734 5.539 -11.320 1.00 0.00 O ATOM 370 CB GLN A 24 11.752 3.325 -10.125 1.00 0.00 C ATOM 371 CG GLN A 24 13.063 3.880 -9.565 1.00 0.00 C ATOM 372 CD GLN A 24 12.975 3.955 -8.040 1.00 0.00 C ATOM 373 OE1 GLN A 24 12.861 5.026 -7.478 1.00 0.00 O ATOM 374 NE2 GLN A 24 13.024 2.853 -7.342 1.00 0.00 N ATOM 0 H GLN A 24 10.213 2.404 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 24 10.961 5.043 -9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.644 2.276 -9.851 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.762 3.371 -11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.896 3.242 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.257 4.870 -9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.120 1.954 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.967 2.891 -6.324 1.00 0.00 H new ATOM 383 N ASP A 25 8.656 3.649 -10.988 1.00 0.00 N ATOM 384 CA ASP A 25 7.685 3.972 -12.070 1.00 0.00 C ATOM 385 C ASP A 25 7.242 5.418 -11.875 1.00 0.00 C ATOM 386 O ASP A 25 7.150 6.188 -12.809 1.00 0.00 O ATOM 387 CB ASP A 25 6.472 3.042 -11.979 1.00 0.00 C ATOM 388 CG ASP A 25 6.008 2.672 -13.389 1.00 0.00 C ATOM 389 OD1 ASP A 25 6.809 2.126 -14.130 1.00 0.00 O ATOM 390 OD2 ASP A 25 4.862 2.944 -13.704 1.00 0.00 O ATOM 0 H ASP A 25 8.505 2.758 -10.515 1.00 0.00 H new ATOM 0 HA ASP A 25 8.146 3.839 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.731 2.142 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.664 3.532 -11.435 1.00 0.00 H new ATOM 395 N ASN A 26 6.999 5.793 -10.650 1.00 0.00 N ATOM 396 CA ASN A 26 6.599 7.190 -10.360 1.00 0.00 C ATOM 397 C ASN A 26 7.850 7.965 -9.939 1.00 0.00 C ATOM 398 O ASN A 26 8.609 7.503 -9.110 1.00 0.00 O ATOM 399 CB ASN A 26 5.583 7.195 -9.218 1.00 0.00 C ATOM 400 CG ASN A 26 4.531 6.111 -9.464 1.00 0.00 C ATOM 401 OD1 ASN A 26 3.531 6.353 -10.109 1.00 0.00 O ATOM 402 ND2 ASN A 26 4.716 4.916 -8.972 1.00 0.00 N ATOM 0 H ASN A 26 7.062 5.184 -9.834 1.00 0.00 H new ATOM 0 HA ASN A 26 6.149 7.651 -11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.087 7.018 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.104 8.172 -9.148 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.021 4.186 -9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.556 4.712 -8.430 1.00 0.00 H new ATOM 409 N PRO A 27 8.036 9.113 -10.531 1.00 0.00 N ATOM 410 CA PRO A 27 9.235 9.904 -10.173 1.00 0.00 C ATOM 411 C PRO A 27 8.963 10.730 -8.913 1.00 0.00 C ATOM 412 O PRO A 27 9.238 11.912 -8.865 1.00 0.00 O ATOM 413 CB PRO A 27 9.500 10.823 -11.371 1.00 0.00 C ATOM 414 CG PRO A 27 8.425 10.522 -12.437 1.00 0.00 C ATOM 415 CD PRO A 27 7.500 9.438 -11.870 1.00 0.00 C ATOM 0 HA PRO A 27 10.094 9.267 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.456 11.869 -11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.498 10.649 -11.774 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.859 11.423 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.889 10.183 -13.363 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.473 9.796 -11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.490 8.557 -12.512 1.00 0.00 H new ATOM 423 N HIS A 28 8.413 10.121 -7.898 1.00 0.00 N ATOM 424 CA HIS A 28 8.114 10.877 -6.654 1.00 0.00 C ATOM 425 C HIS A 28 8.089 9.924 -5.456 1.00 0.00 C ATOM 426 O HIS A 28 8.721 10.165 -4.447 1.00 0.00 O ATOM 427 CB HIS A 28 6.748 11.529 -6.809 1.00 0.00 C ATOM 428 CG HIS A 28 6.641 12.714 -5.886 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.674 12.582 -4.507 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.497 14.057 -6.131 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.552 13.813 -3.979 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.441 14.749 -4.925 1.00 0.00 N ATOM 0 H HIS A 28 8.159 9.133 -7.879 1.00 0.00 H new ATOM 0 HA HIS A 28 8.881 11.633 -6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.601 11.846 -7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.963 10.808 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.436 14.508 -7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.545 14.019 -2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.337 15.755 -4.792 1.00 0.00 H new ATOM 440 N ALA A 29 7.352 8.850 -5.558 1.00 0.00 N ATOM 441 CA ALA A 29 7.272 7.883 -4.425 1.00 0.00 C ATOM 442 C ALA A 29 8.657 7.687 -3.806 1.00 0.00 C ATOM 443 O ALA A 29 9.653 7.616 -4.498 1.00 0.00 O ATOM 444 CB ALA A 29 6.752 6.537 -4.937 1.00 0.00 C ATOM 0 H ALA A 29 6.801 8.600 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 29 6.593 8.277 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.694 5.831 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.761 6.671 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.431 6.150 -5.697 1.00 0.00 H new ATOM 450 N VAL A 30 8.726 7.593 -2.506 1.00 0.00 N ATOM 451 CA VAL A 30 10.045 7.392 -1.846 1.00 0.00 C ATOM 452 C VAL A 30 10.440 5.918 -1.976 1.00 0.00 C ATOM 453 O VAL A 30 9.825 5.167 -2.707 1.00 0.00 O ATOM 454 CB VAL A 30 9.943 7.797 -0.366 1.00 0.00 C ATOM 455 CG1 VAL A 30 9.389 6.639 0.477 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.330 8.187 0.150 1.00 0.00 C ATOM 0 H VAL A 30 7.927 7.647 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 30 10.806 8.010 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 30 9.263 8.645 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.325 6.947 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.396 6.369 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.052 5.778 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.260 8.475 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.007 7.339 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.712 9.026 -0.432 1.00 0.00 H new ATOM 466 N VAL A 31 11.458 5.494 -1.281 1.00 0.00 N ATOM 467 CA VAL A 31 11.875 4.075 -1.378 1.00 0.00 C ATOM 468 C VAL A 31 11.855 3.439 0.019 1.00 0.00 C ATOM 469 O VAL A 31 11.142 3.881 0.898 1.00 0.00 O ATOM 470 CB VAL A 31 13.283 4.022 -1.971 1.00 0.00 C ATOM 471 CG1 VAL A 31 13.227 4.425 -3.445 1.00 0.00 C ATOM 472 CG2 VAL A 31 14.194 4.990 -1.214 1.00 0.00 C ATOM 0 H VAL A 31 12.016 6.071 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 31 11.191 3.520 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 31 13.677 3.009 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.230 4.388 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.578 3.737 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.834 5.438 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.198 4.952 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.802 6.003 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.233 4.706 -0.162 1.00 0.00 H new ATOM 482 N GLN A 32 12.619 2.401 0.229 1.00 0.00 N ATOM 483 CA GLN A 32 12.631 1.733 1.559 1.00 0.00 C ATOM 484 C GLN A 32 13.994 1.939 2.225 1.00 0.00 C ATOM 485 O GLN A 32 14.670 2.919 1.984 1.00 0.00 O ATOM 486 CB GLN A 32 12.385 0.237 1.363 1.00 0.00 C ATOM 487 CG GLN A 32 11.378 0.029 0.230 1.00 0.00 C ATOM 488 CD GLN A 32 12.097 -0.545 -0.992 1.00 0.00 C ATOM 489 OE1 GLN A 32 12.889 -1.458 -0.872 1.00 0.00 O ATOM 490 NE2 GLN A 32 11.852 -0.045 -2.173 1.00 0.00 N ATOM 0 H GLN A 32 13.238 1.986 -0.468 1.00 0.00 H new ATOM 0 HA GLN A 32 11.853 2.159 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 32 13.322 -0.269 1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.007 -0.204 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.587 -0.649 0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.902 0.975 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.187 0.722 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.326 -0.421 -2.994 1.00 0.00 H new ATOM 499 N HIS A 33 14.401 1.025 3.064 1.00 0.00 N ATOM 500 CA HIS A 33 15.718 1.178 3.745 1.00 0.00 C ATOM 501 C HIS A 33 16.776 0.332 3.029 1.00 0.00 C ATOM 502 O HIS A 33 17.359 0.756 2.051 1.00 0.00 O ATOM 503 CB HIS A 33 15.596 0.730 5.203 1.00 0.00 C ATOM 504 CG HIS A 33 16.939 0.837 5.871 1.00 0.00 C ATOM 505 ND1 HIS A 33 18.027 1.432 5.252 1.00 0.00 N ATOM 506 CD2 HIS A 33 17.384 0.434 7.105 1.00 0.00 C ATOM 507 CE1 HIS A 33 19.064 1.371 6.108 1.00 0.00 C ATOM 508 NE2 HIS A 33 18.726 0.772 7.253 1.00 0.00 N ATOM 0 H HIS A 33 13.880 0.182 3.306 1.00 0.00 H new ATOM 0 HA HIS A 33 16.019 2.225 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.867 1.349 5.726 1.00 0.00 H new ATOM 0 HB3 HIS A 33 15.234 -0.297 5.251 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.784 -0.069 7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 33 20.049 1.759 5.895 1.00 0.00 H new ATOM 0 HE2 HIS A 33 19.323 0.599 8.062 1.00 0.00 H new ATOM 516 N HIS A 34 17.037 -0.858 3.506 1.00 0.00 N ATOM 517 CA HIS A 34 18.063 -1.711 2.847 1.00 0.00 C ATOM 518 C HIS A 34 17.905 -3.160 3.318 1.00 0.00 C ATOM 519 O HIS A 34 17.509 -4.019 2.555 1.00 0.00 O ATOM 520 CB HIS A 34 19.454 -1.207 3.225 1.00 0.00 C ATOM 521 CG HIS A 34 20.109 -0.576 2.027 1.00 0.00 C ATOM 522 ND1 HIS A 34 19.977 -1.095 0.749 1.00 0.00 N ATOM 523 CD2 HIS A 34 20.907 0.535 1.900 1.00 0.00 C ATOM 524 CE1 HIS A 34 20.678 -0.303 -0.084 1.00 0.00 C ATOM 525 NE2 HIS A 34 21.264 0.705 0.566 1.00 0.00 N ATOM 0 H HIS A 34 16.584 -1.272 4.321 1.00 0.00 H new ATOM 0 HA HIS A 34 17.935 -1.665 1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 34 19.380 -0.482 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 34 20.063 -2.033 3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 34 21.211 1.179 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 34 20.757 -0.464 -1.149 1.00 0.00 H new ATOM 0 HE2 HIS A 34 21.848 1.442 0.170 1.00 0.00 H new ATOM 533 N PRO A 35 18.229 -3.385 4.566 1.00 0.00 N ATOM 534 CA PRO A 35 18.110 -4.764 5.094 1.00 0.00 C ATOM 535 C PRO A 35 16.739 -5.351 4.753 1.00 0.00 C ATOM 536 O PRO A 35 15.923 -4.721 4.112 1.00 0.00 O ATOM 537 CB PRO A 35 18.279 -4.646 6.613 1.00 0.00 C ATOM 538 CG PRO A 35 18.550 -3.163 6.938 1.00 0.00 C ATOM 539 CD PRO A 35 18.521 -2.384 5.616 1.00 0.00 C ATOM 0 HA PRO A 35 18.858 -5.426 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.382 -4.993 7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.104 -5.270 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 35 17.797 -2.778 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.517 -3.049 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.758 -1.605 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 35 19.475 -1.891 5.432 1.00 0.00 H new ATOM 547 N ALA A 36 16.485 -6.559 5.176 1.00 0.00 N ATOM 548 CA ALA A 36 15.172 -7.197 4.875 1.00 0.00 C ATOM 549 C ALA A 36 14.042 -6.187 5.085 1.00 0.00 C ATOM 550 O ALA A 36 13.064 -6.181 4.364 1.00 0.00 O ATOM 551 CB ALA A 36 14.964 -8.394 5.804 1.00 0.00 C ATOM 0 H ALA A 36 17.131 -7.133 5.718 1.00 0.00 H new ATOM 0 HA ALA A 36 15.165 -7.532 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.004 -8.862 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.764 -9.118 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.975 -8.057 6.840 1.00 0.00 H new ATOM 557 N MET A 37 14.161 -5.332 6.063 1.00 0.00 N ATOM 558 CA MET A 37 13.085 -4.332 6.304 1.00 0.00 C ATOM 559 C MET A 37 12.988 -3.401 5.098 1.00 0.00 C ATOM 560 O MET A 37 13.979 -3.067 4.478 1.00 0.00 O ATOM 561 CB MET A 37 13.412 -3.518 7.558 1.00 0.00 C ATOM 562 CG MET A 37 13.091 -4.348 8.801 1.00 0.00 C ATOM 563 SD MET A 37 13.298 -3.325 10.280 1.00 0.00 S ATOM 564 CE MET A 37 15.096 -3.481 10.410 1.00 0.00 C ATOM 0 H MET A 37 14.954 -5.283 6.703 1.00 0.00 H new ATOM 0 HA MET A 37 12.134 -4.844 6.448 1.00 0.00 H new ATOM 0 HB2 MET A 37 14.465 -3.236 7.558 1.00 0.00 H new ATOM 0 HB3 MET A 37 12.835 -2.594 7.566 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.069 -4.724 8.746 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.748 -5.216 8.851 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.347 -4.076 11.288 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.484 -3.971 9.517 1.00 0.00 H new ATOM 0 HE3 MET A 37 15.541 -2.491 10.503 1.00 0.00 H new ATOM 574 N ILE A 38 11.803 -2.982 4.755 1.00 0.00 N ATOM 575 CA ILE A 38 11.652 -2.078 3.584 1.00 0.00 C ATOM 576 C ILE A 38 10.498 -1.102 3.836 1.00 0.00 C ATOM 577 O ILE A 38 9.343 -1.477 3.838 1.00 0.00 O ATOM 578 CB ILE A 38 11.368 -2.916 2.335 1.00 0.00 C ATOM 579 CG1 ILE A 38 10.114 -3.764 2.558 1.00 0.00 C ATOM 580 CG2 ILE A 38 12.557 -3.841 2.062 1.00 0.00 C ATOM 581 CD1 ILE A 38 10.005 -4.812 1.449 1.00 0.00 C ATOM 0 H ILE A 38 10.936 -3.226 5.233 1.00 0.00 H new ATOM 0 HA ILE A 38 12.570 -1.510 3.435 1.00 0.00 H new ATOM 0 HB ILE A 38 11.213 -2.253 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.160 -4.252 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.228 -3.129 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.356 -4.439 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.454 -3.243 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.708 -4.501 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.112 -5.417 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.939 -4.313 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.886 -5.454 1.467 1.00 0.00 H new ATOM 593 N ARG A 39 10.806 0.151 4.049 1.00 0.00 N ATOM 594 CA ARG A 39 9.732 1.155 4.301 1.00 0.00 C ATOM 595 C ARG A 39 9.290 1.774 2.975 1.00 0.00 C ATOM 596 O ARG A 39 9.865 1.514 1.938 1.00 0.00 O ATOM 597 CB ARG A 39 10.267 2.255 5.220 1.00 0.00 C ATOM 598 CG ARG A 39 10.883 1.622 6.467 1.00 0.00 C ATOM 599 CD ARG A 39 11.166 2.708 7.504 1.00 0.00 C ATOM 600 NE ARG A 39 12.581 2.596 7.974 1.00 0.00 N ATOM 601 CZ ARG A 39 13.081 1.448 8.354 1.00 0.00 C ATOM 602 NH1 ARG A 39 12.312 0.405 8.520 1.00 0.00 N ATOM 603 NH2 ARG A 39 14.352 1.359 8.629 1.00 0.00 N ATOM 0 H ARG A 39 11.756 0.522 4.059 1.00 0.00 H new ATOM 0 HA ARG A 39 8.882 0.664 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.014 2.851 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.461 2.931 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.205 0.876 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.806 1.104 6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.993 3.693 7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.483 2.607 8.347 1.00 0.00 H new ATOM 0 HE ARG A 39 13.168 3.430 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.309 0.479 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.715 -0.484 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.950 2.181 8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.748 0.467 8.926 1.00 0.00 H new ATOM 617 N ILE A 40 8.275 2.596 3.004 1.00 0.00 N ATOM 618 CA ILE A 40 7.791 3.236 1.747 1.00 0.00 C ATOM 619 C ILE A 40 6.928 4.456 2.096 1.00 0.00 C ATOM 620 O ILE A 40 6.531 4.644 3.229 1.00 0.00 O ATOM 621 CB ILE A 40 6.952 2.230 0.952 1.00 0.00 C ATOM 622 CG1 ILE A 40 7.859 1.119 0.416 1.00 0.00 C ATOM 623 CG2 ILE A 40 6.275 2.941 -0.221 1.00 0.00 C ATOM 624 CD1 ILE A 40 7.093 0.277 -0.606 1.00 0.00 C ATOM 0 H ILE A 40 7.759 2.852 3.846 1.00 0.00 H new ATOM 0 HA ILE A 40 8.645 3.552 1.147 1.00 0.00 H new ATOM 0 HB ILE A 40 6.192 1.799 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.746 1.552 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.203 0.489 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.679 2.224 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.628 3.733 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.035 3.373 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.741 -0.513 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.220 -0.168 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.772 0.911 -1.432 1.00 0.00 H new ATOM 636 N GLU A 41 6.636 5.286 1.130 1.00 0.00 N ATOM 637 CA GLU A 41 5.802 6.497 1.397 1.00 0.00 C ATOM 638 C GLU A 41 4.880 6.741 0.200 1.00 0.00 C ATOM 639 O GLU A 41 5.014 6.121 -0.836 1.00 0.00 O ATOM 640 CB GLU A 41 6.726 7.706 1.584 1.00 0.00 C ATOM 641 CG GLU A 41 6.126 8.679 2.603 1.00 0.00 C ATOM 642 CD GLU A 41 6.370 8.156 4.020 1.00 0.00 C ATOM 643 OE1 GLU A 41 7.094 7.184 4.155 1.00 0.00 O ATOM 644 OE2 GLU A 41 5.829 8.738 4.946 1.00 0.00 O ATOM 0 H GLU A 41 6.940 5.178 0.162 1.00 0.00 H new ATOM 0 HA GLU A 41 5.204 6.349 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.707 7.374 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.872 8.212 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.575 9.665 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.057 8.793 2.426 1.00 0.00 H new ATOM 651 N ALA A 42 3.946 7.641 0.334 1.00 0.00 N ATOM 652 CA ALA A 42 3.018 7.929 -0.794 1.00 0.00 C ATOM 653 C ALA A 42 2.746 9.434 -0.868 1.00 0.00 C ATOM 654 O ALA A 42 3.398 10.226 -0.221 1.00 0.00 O ATOM 655 CB ALA A 42 1.703 7.184 -0.584 1.00 0.00 C ATOM 0 H ALA A 42 3.785 8.191 1.178 1.00 0.00 H new ATOM 0 HA ALA A 42 3.476 7.598 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.027 7.398 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.895 6.112 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.246 7.509 0.351 1.00 0.00 H new ATOM 661 N GLU A 43 1.783 9.826 -1.655 1.00 0.00 N ATOM 662 CA GLU A 43 1.458 11.276 -1.799 1.00 0.00 C ATOM 663 C GLU A 43 -0.061 11.456 -1.943 1.00 0.00 C ATOM 664 O GLU A 43 -0.570 11.512 -3.042 1.00 0.00 O ATOM 665 CB GLU A 43 2.145 11.817 -3.056 1.00 0.00 C ATOM 666 CG GLU A 43 2.024 10.790 -4.183 1.00 0.00 C ATOM 667 CD GLU A 43 3.320 9.981 -4.278 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.239 10.447 -4.930 1.00 0.00 O ATOM 669 OE2 GLU A 43 3.369 8.910 -3.697 1.00 0.00 O ATOM 0 H GLU A 43 1.201 9.199 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 43 1.805 11.815 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.687 12.759 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.195 12.024 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.181 10.125 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.827 11.294 -5.129 1.00 0.00 H new ATOM 676 N LYS A 44 -0.794 11.525 -0.851 1.00 0.00 N ATOM 677 CA LYS A 44 -2.266 11.674 -0.936 1.00 0.00 C ATOM 678 C LYS A 44 -2.854 10.297 -1.134 1.00 0.00 C ATOM 679 O LYS A 44 -2.147 9.315 -1.215 1.00 0.00 O ATOM 680 CB LYS A 44 -2.666 12.609 -2.100 1.00 0.00 C ATOM 681 CG LYS A 44 -3.095 11.811 -3.344 1.00 0.00 C ATOM 682 CD LYS A 44 -2.842 12.644 -4.602 1.00 0.00 C ATOM 683 CE LYS A 44 -2.219 11.760 -5.683 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.735 11.874 -5.622 1.00 0.00 N ATOM 0 H LYS A 44 -0.421 11.483 0.098 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.648 12.125 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.483 13.257 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.826 13.256 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.539 10.875 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.151 11.550 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.778 13.072 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.178 13.477 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.521 10.723 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.578 12.062 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.304 11.072 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.437 12.764 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.427 11.865 -4.629 1.00 0.00 H new ATOM 698 N ARG A 45 -4.132 10.218 -1.238 1.00 0.00 N ATOM 699 CA ARG A 45 -4.750 8.900 -1.464 1.00 0.00 C ATOM 700 C ARG A 45 -6.262 9.056 -1.540 1.00 0.00 C ATOM 701 O ARG A 45 -6.755 10.146 -1.667 1.00 0.00 O ATOM 702 CB ARG A 45 -4.371 7.927 -0.340 1.00 0.00 C ATOM 703 CG ARG A 45 -3.405 6.868 -0.878 1.00 0.00 C ATOM 704 CD ARG A 45 -4.181 5.848 -1.714 1.00 0.00 C ATOM 705 NE ARG A 45 -3.273 4.732 -2.102 1.00 0.00 N ATOM 706 CZ ARG A 45 -3.765 3.621 -2.582 1.00 0.00 C ATOM 707 NH1 ARG A 45 -5.055 3.486 -2.735 1.00 0.00 N ATOM 708 NH2 ARG A 45 -2.965 2.644 -2.912 1.00 0.00 N ATOM 0 H ARG A 45 -4.778 11.005 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.382 8.491 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.908 8.470 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.266 7.448 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.633 7.340 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.900 6.368 -0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.026 5.462 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.589 6.326 -2.605 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.264 4.836 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.682 4.249 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.436 2.617 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.957 2.748 -2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.348 1.776 -3.287 1.00 0.00 H new ATOM 722 N LEU A 46 -6.990 7.972 -1.448 1.00 0.00 N ATOM 723 CA LEU A 46 -8.485 8.043 -1.454 1.00 0.00 C ATOM 724 C LEU A 46 -9.057 6.642 -1.725 1.00 0.00 C ATOM 725 O LEU A 46 -8.391 5.654 -1.513 1.00 0.00 O ATOM 726 CB LEU A 46 -8.970 9.071 -2.464 1.00 0.00 C ATOM 727 CG LEU A 46 -9.275 10.372 -1.712 1.00 0.00 C ATOM 728 CD1 LEU A 46 -9.376 11.532 -2.692 1.00 0.00 C ATOM 729 CD2 LEU A 46 -10.580 10.223 -0.941 1.00 0.00 C ATOM 0 H LEU A 46 -6.609 7.029 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.844 8.373 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.211 9.242 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.862 8.710 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.466 10.578 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.593 12.451 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.432 11.641 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.176 11.336 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.795 11.149 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.391 10.009 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.489 9.405 -0.226 1.00 0.00 H new ATOM 741 N GLU A 47 -10.275 6.542 -2.192 1.00 0.00 N ATOM 742 CA GLU A 47 -10.867 5.200 -2.495 1.00 0.00 C ATOM 743 C GLU A 47 -12.390 5.328 -2.601 1.00 0.00 C ATOM 744 O GLU A 47 -12.924 6.416 -2.673 1.00 0.00 O ATOM 745 CB GLU A 47 -10.512 4.162 -1.418 1.00 0.00 C ATOM 746 CG GLU A 47 -9.728 3.015 -2.059 1.00 0.00 C ATOM 747 CD GLU A 47 -9.378 1.979 -0.990 1.00 0.00 C ATOM 748 OE1 GLU A 47 -8.508 2.260 -0.183 1.00 0.00 O ATOM 749 OE2 GLU A 47 -9.988 0.922 -0.995 1.00 0.00 O ATOM 0 H GLU A 47 -10.889 7.335 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.450 4.855 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.919 4.627 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.420 3.781 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.319 2.553 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.818 3.396 -2.523 1.00 0.00 H new ATOM 756 N ILE A 48 -13.095 4.227 -2.607 1.00 0.00 N ATOM 757 CA ILE A 48 -14.582 4.301 -2.703 1.00 0.00 C ATOM 758 C ILE A 48 -15.176 2.885 -2.623 1.00 0.00 C ATOM 759 O ILE A 48 -14.615 2.006 -2.001 1.00 0.00 O ATOM 760 CB ILE A 48 -14.972 4.993 -4.019 1.00 0.00 C ATOM 761 CG1 ILE A 48 -16.342 5.659 -3.859 1.00 0.00 C ATOM 762 CG2 ILE A 48 -15.028 3.981 -5.167 1.00 0.00 C ATOM 763 CD1 ILE A 48 -16.262 7.108 -4.342 1.00 0.00 C ATOM 0 H ILE A 48 -12.708 3.285 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.982 4.884 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 48 -14.219 5.745 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -17.093 5.114 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -16.654 5.629 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -15.306 4.492 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.050 3.516 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.768 3.214 -4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -17.236 7.584 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.523 7.649 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.969 7.126 -5.392 1.00 0.00 H new ATOM 775 N ARG A 49 -16.314 2.661 -3.225 1.00 0.00 N ATOM 776 CA ARG A 49 -16.942 1.306 -3.159 1.00 0.00 C ATOM 777 C ARG A 49 -16.491 0.458 -4.350 1.00 0.00 C ATOM 778 O ARG A 49 -16.289 -0.734 -4.234 1.00 0.00 O ATOM 779 CB ARG A 49 -18.463 1.452 -3.197 1.00 0.00 C ATOM 780 CG ARG A 49 -19.116 0.173 -2.668 1.00 0.00 C ATOM 781 CD ARG A 49 -20.600 0.166 -3.040 1.00 0.00 C ATOM 782 NE ARG A 49 -20.798 -0.604 -4.301 1.00 0.00 N ATOM 783 CZ ARG A 49 -21.994 -1.007 -4.641 1.00 0.00 C ATOM 784 NH1 ARG A 49 -23.019 -0.738 -3.877 1.00 0.00 N ATOM 785 NH2 ARG A 49 -22.164 -1.678 -5.748 1.00 0.00 N ATOM 0 H ARG A 49 -16.836 3.356 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.636 0.817 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.771 2.306 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.794 1.646 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.621 -0.702 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -19.001 0.114 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.185 -0.279 -2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.958 1.188 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.999 -0.817 -4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.887 -0.212 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -23.951 -1.054 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.364 -1.887 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -23.097 -1.993 -6.015 1.00 0.00 H new ATOM 799 N ARG A 50 -16.343 1.061 -5.495 1.00 0.00 N ATOM 800 CA ARG A 50 -15.915 0.288 -6.697 1.00 0.00 C ATOM 801 C ARG A 50 -14.550 -0.358 -6.443 1.00 0.00 C ATOM 802 O ARG A 50 -14.257 -1.426 -6.945 1.00 0.00 O ATOM 803 CB ARG A 50 -15.816 1.230 -7.898 1.00 0.00 C ATOM 804 CG ARG A 50 -15.760 0.409 -9.187 1.00 0.00 C ATOM 805 CD ARG A 50 -17.055 0.611 -9.975 1.00 0.00 C ATOM 806 NE ARG A 50 -16.729 0.932 -11.393 1.00 0.00 N ATOM 807 CZ ARG A 50 -17.656 0.867 -12.310 1.00 0.00 C ATOM 808 NH1 ARG A 50 -18.873 0.521 -11.988 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.366 1.148 -13.551 1.00 0.00 N ATOM 0 H ARG A 50 -16.500 2.057 -5.653 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.648 -0.492 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.675 1.901 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.926 1.853 -7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.904 0.714 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.625 -0.647 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.667 -0.290 -9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.640 1.418 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.779 1.203 -11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.101 0.301 -11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.596 0.471 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.416 1.418 -13.804 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.090 1.097 -14.268 1.00 0.00 H new ATOM 823 N GLU A 51 -13.710 0.279 -5.673 1.00 0.00 N ATOM 824 CA GLU A 51 -12.366 -0.302 -5.396 1.00 0.00 C ATOM 825 C GLU A 51 -12.524 -1.687 -4.762 1.00 0.00 C ATOM 826 O GLU A 51 -11.671 -2.544 -4.892 1.00 0.00 O ATOM 827 CB GLU A 51 -11.606 0.613 -4.437 1.00 0.00 C ATOM 828 CG GLU A 51 -11.430 1.991 -5.078 1.00 0.00 C ATOM 829 CD GLU A 51 -10.064 2.063 -5.763 1.00 0.00 C ATOM 830 OE1 GLU A 51 -9.340 1.084 -5.697 1.00 0.00 O ATOM 831 OE2 GLU A 51 -9.767 3.094 -6.342 1.00 0.00 O ATOM 0 H GLU A 51 -13.896 1.176 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.812 -0.394 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.150 0.704 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.633 0.183 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.223 2.170 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.510 2.770 -4.320 1.00 0.00 H new ATOM 838 N THR A 52 -13.607 -1.917 -4.076 1.00 0.00 N ATOM 839 CA THR A 52 -13.806 -3.247 -3.441 1.00 0.00 C ATOM 840 C THR A 52 -13.928 -4.313 -4.524 1.00 0.00 C ATOM 841 O THR A 52 -13.380 -5.390 -4.408 1.00 0.00 O ATOM 842 CB THR A 52 -15.077 -3.236 -2.592 1.00 0.00 C ATOM 843 OG1 THR A 52 -15.155 -2.014 -1.870 1.00 0.00 O ATOM 844 CG2 THR A 52 -15.046 -4.411 -1.614 1.00 0.00 C ATOM 0 H THR A 52 -14.360 -1.245 -3.928 1.00 0.00 H new ATOM 0 HA THR A 52 -12.952 -3.469 -2.802 1.00 0.00 H new ATOM 0 HB THR A 52 -15.949 -3.328 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.618 -1.342 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.952 -4.404 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.989 -5.346 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.175 -4.321 -0.965 1.00 0.00 H new ATOM 852 N VAL A 53 -14.633 -4.027 -5.582 1.00 0.00 N ATOM 853 CA VAL A 53 -14.760 -5.039 -6.662 1.00 0.00 C ATOM 854 C VAL A 53 -13.356 -5.471 -7.069 1.00 0.00 C ATOM 855 O VAL A 53 -13.126 -6.595 -7.473 1.00 0.00 O ATOM 856 CB VAL A 53 -15.479 -4.429 -7.865 1.00 0.00 C ATOM 857 CG1 VAL A 53 -15.514 -5.447 -9.005 1.00 0.00 C ATOM 858 CG2 VAL A 53 -16.910 -4.059 -7.470 1.00 0.00 C ATOM 0 H VAL A 53 -15.121 -3.146 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.336 -5.895 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 53 -14.949 -3.534 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.026 -5.014 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.495 -5.713 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.045 -6.341 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.423 -3.624 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.441 -4.954 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.887 -3.335 -6.655 1.00 0.00 H new ATOM 868 N GLU A 54 -12.406 -4.586 -6.935 1.00 0.00 N ATOM 869 CA GLU A 54 -11.009 -4.945 -7.284 1.00 0.00 C ATOM 870 C GLU A 54 -10.511 -5.921 -6.225 1.00 0.00 C ATOM 871 O GLU A 54 -9.846 -6.895 -6.518 1.00 0.00 O ATOM 872 CB GLU A 54 -10.139 -3.682 -7.299 1.00 0.00 C ATOM 873 CG GLU A 54 -8.665 -4.060 -7.133 1.00 0.00 C ATOM 874 CD GLU A 54 -7.831 -3.345 -8.197 1.00 0.00 C ATOM 875 OE1 GLU A 54 -8.278 -3.287 -9.331 1.00 0.00 O ATOM 876 OE2 GLU A 54 -6.762 -2.865 -7.859 1.00 0.00 O ATOM 0 H GLU A 54 -12.540 -3.632 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.958 -5.401 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.282 -3.143 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.444 -3.011 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.318 -3.784 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.543 -5.139 -7.225 1.00 0.00 H new ATOM 883 N GLU A 55 -10.848 -5.673 -4.991 1.00 0.00 N ATOM 884 CA GLU A 55 -10.418 -6.593 -3.908 1.00 0.00 C ATOM 885 C GLU A 55 -10.937 -8.000 -4.222 1.00 0.00 C ATOM 886 O GLU A 55 -10.171 -8.924 -4.436 1.00 0.00 O ATOM 887 CB GLU A 55 -10.993 -6.107 -2.576 1.00 0.00 C ATOM 888 CG GLU A 55 -10.001 -5.150 -1.911 1.00 0.00 C ATOM 889 CD GLU A 55 -10.576 -4.658 -0.582 1.00 0.00 C ATOM 890 OE1 GLU A 55 -11.473 -3.831 -0.617 1.00 0.00 O ATOM 891 OE2 GLU A 55 -10.110 -5.116 0.449 1.00 0.00 O ATOM 0 H GLU A 55 -11.403 -4.873 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.330 -6.614 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.946 -5.604 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.190 -6.956 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.050 -5.655 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.801 -4.304 -2.568 1.00 0.00 H new ATOM 898 N ASN A 56 -12.235 -8.171 -4.271 1.00 0.00 N ATOM 899 CA ASN A 56 -12.796 -9.517 -4.588 1.00 0.00 C ATOM 900 C ASN A 56 -12.020 -10.117 -5.744 1.00 0.00 C ATOM 901 O ASN A 56 -11.772 -11.296 -5.740 1.00 0.00 O ATOM 902 CB ASN A 56 -14.276 -9.394 -4.959 1.00 0.00 C ATOM 903 CG ASN A 56 -15.070 -10.511 -4.278 1.00 0.00 C ATOM 904 OD1 ASN A 56 -15.858 -11.185 -4.912 1.00 0.00 O ATOM 905 ND2 ASN A 56 -14.898 -10.735 -3.004 1.00 0.00 N ATOM 0 H ASN A 56 -12.926 -7.439 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.709 -10.163 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.659 -8.421 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.397 -9.456 -6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.425 -11.475 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.237 -10.170 -2.471 1.00 0.00 H new ATOM 912 N LEU A 57 -11.604 -9.324 -6.711 1.00 0.00 N ATOM 913 CA LEU A 57 -10.798 -9.898 -7.833 1.00 0.00 C ATOM 914 C LEU A 57 -9.574 -10.548 -7.203 1.00 0.00 C ATOM 915 O LEU A 57 -9.282 -11.707 -7.423 1.00 0.00 O ATOM 916 CB LEU A 57 -10.364 -8.794 -8.800 1.00 0.00 C ATOM 917 CG LEU A 57 -9.497 -9.400 -9.904 1.00 0.00 C ATOM 918 CD1 LEU A 57 -10.395 -9.958 -11.009 1.00 0.00 C ATOM 919 CD2 LEU A 57 -8.580 -8.321 -10.487 1.00 0.00 C ATOM 0 H LEU A 57 -11.786 -8.322 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.383 -10.621 -8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.239 -8.310 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.807 -8.025 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.890 -10.204 -9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.777 -10.390 -11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.046 -10.728 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.003 -9.154 -11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.963 -8.754 -11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.185 -7.515 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.939 -7.924 -9.700 1.00 0.00 H new ATOM 931 N GLY A 58 -8.898 -9.819 -6.353 1.00 0.00 N ATOM 932 CA GLY A 58 -7.735 -10.396 -5.621 1.00 0.00 C ATOM 933 C GLY A 58 -8.283 -11.254 -4.466 1.00 0.00 C ATOM 934 O GLY A 58 -7.571 -11.611 -3.551 1.00 0.00 O ATOM 0 H GLY A 58 -9.104 -8.844 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.125 -11.002 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.094 -9.603 -5.236 1.00 0.00 H new ATOM 938 N ARG A 59 -9.558 -11.576 -4.536 1.00 0.00 N ATOM 939 CA ARG A 59 -10.241 -12.410 -3.518 1.00 0.00 C ATOM 940 C ARG A 59 -10.342 -11.664 -2.229 1.00 0.00 C ATOM 941 O ARG A 59 -9.972 -12.155 -1.184 1.00 0.00 O ATOM 942 CB ARG A 59 -9.434 -13.637 -3.349 1.00 0.00 C ATOM 943 CG ARG A 59 -9.994 -14.497 -2.215 1.00 0.00 C ATOM 944 CD ARG A 59 -10.001 -15.966 -2.641 1.00 0.00 C ATOM 945 NE ARG A 59 -9.660 -16.824 -1.472 1.00 0.00 N ATOM 946 CZ ARG A 59 -9.905 -18.107 -1.506 1.00 0.00 C ATOM 947 NH1 ARG A 59 -10.459 -18.641 -2.562 1.00 0.00 N ATOM 948 NH2 ARG A 59 -9.598 -18.856 -0.482 1.00 0.00 N ATOM 0 H ARG A 59 -10.168 -11.275 -5.296 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.254 -12.661 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.431 -14.207 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.399 -13.371 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.389 -14.371 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.005 -14.175 -1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.982 -16.238 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.283 -16.126 -3.445 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.234 -16.409 -0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.701 -18.056 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.649 -19.643 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.167 -18.440 0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.789 -19.858 -0.507 1.00 0.00 H new ATOM 962 N ALA A 60 -10.810 -10.461 -2.295 1.00 0.00 N ATOM 963 CA ALA A 60 -10.883 -9.666 -1.066 1.00 0.00 C ATOM 964 C ALA A 60 -9.463 -9.642 -0.562 1.00 0.00 C ATOM 965 O ALA A 60 -9.037 -10.569 0.083 1.00 0.00 O ATOM 966 CB ALA A 60 -11.803 -10.340 -0.046 1.00 0.00 C ATOM 0 H ALA A 60 -11.142 -10.000 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.287 -8.667 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.846 -9.736 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.804 -10.435 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.415 -11.330 0.195 1.00 0.00 H new ATOM 972 N TRP A 61 -8.726 -8.623 -0.932 1.00 0.00 N ATOM 973 CA TRP A 61 -7.257 -8.536 -0.592 1.00 0.00 C ATOM 974 C TRP A 61 -6.937 -9.529 0.516 1.00 0.00 C ATOM 975 O TRP A 61 -6.910 -9.232 1.694 1.00 0.00 O ATOM 976 CB TRP A 61 -6.943 -7.115 -0.121 1.00 0.00 C ATOM 977 CG TRP A 61 -5.552 -7.046 0.418 1.00 0.00 C ATOM 978 CD1 TRP A 61 -4.426 -7.083 -0.329 1.00 0.00 C ATOM 979 CD2 TRP A 61 -5.121 -6.917 1.803 1.00 0.00 C ATOM 980 NE1 TRP A 61 -3.330 -6.982 0.509 1.00 0.00 N ATOM 981 CE2 TRP A 61 -3.707 -6.880 1.834 1.00 0.00 C ATOM 982 CE3 TRP A 61 -5.814 -6.831 3.024 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -3.005 -6.759 3.035 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -5.111 -6.710 4.234 1.00 0.00 C ATOM 985 CH2 TRP A 61 -3.710 -6.674 4.239 1.00 0.00 C ATOM 0 H TRP A 61 -9.081 -7.830 -1.466 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.655 -8.773 -1.469 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.055 -6.416 -0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.654 -6.813 0.648 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.388 -7.176 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -2.362 -6.983 0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.894 -6.858 3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.925 -6.731 3.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.653 -6.644 5.166 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.175 -6.581 5.173 1.00 0.00 H new ATOM 996 N ASP A 62 -6.769 -10.753 0.078 1.00 0.00 N ATOM 997 CA ASP A 62 -6.526 -11.899 0.979 1.00 0.00 C ATOM 998 C ASP A 62 -5.039 -12.273 0.963 1.00 0.00 C ATOM 999 O ASP A 62 -4.661 -13.331 0.501 1.00 0.00 O ATOM 1000 CB ASP A 62 -7.377 -13.071 0.454 1.00 0.00 C ATOM 1001 CG ASP A 62 -7.029 -14.348 1.222 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -7.320 -14.402 2.406 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -6.478 -15.250 0.613 1.00 0.00 O ATOM 0 H ASP A 62 -6.793 -11.003 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.796 -11.654 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.437 -12.843 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.196 -13.215 -0.611 1.00 0.00 H new ATOM 1008 N VAL A 63 -4.195 -11.412 1.466 1.00 0.00 N ATOM 1009 CA VAL A 63 -2.735 -11.718 1.483 1.00 0.00 C ATOM 1010 C VAL A 63 -2.380 -12.448 2.779 1.00 0.00 C ATOM 1011 O VAL A 63 -1.225 -12.685 3.069 1.00 0.00 O ATOM 1012 CB VAL A 63 -1.940 -10.417 1.420 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -0.457 -10.730 1.212 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -2.446 -9.561 0.257 1.00 0.00 C ATOM 0 H VAL A 63 -4.454 -10.510 1.866 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.491 -12.345 0.625 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.069 -9.872 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.109 -9.799 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.093 -11.336 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.328 -11.278 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.877 -8.632 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.321 -10.107 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.501 -9.333 0.405 1.00 0.00 H new ATOM 1024 N GLN A 64 -3.362 -12.798 3.563 1.00 0.00 N ATOM 1025 CA GLN A 64 -3.078 -13.507 4.843 1.00 0.00 C ATOM 1026 C GLN A 64 -2.003 -14.570 4.609 1.00 0.00 C ATOM 1027 O GLN A 64 -1.208 -14.865 5.478 1.00 0.00 O ATOM 1028 CB GLN A 64 -4.360 -14.171 5.354 1.00 0.00 C ATOM 1029 CG GLN A 64 -5.170 -13.158 6.165 1.00 0.00 C ATOM 1030 CD GLN A 64 -5.573 -11.990 5.264 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -6.464 -12.116 4.448 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -4.950 -10.848 5.377 1.00 0.00 N ATOM 0 H GLN A 64 -4.349 -12.624 3.373 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.722 -12.792 5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.952 -14.538 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.114 -15.034 5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.058 -13.635 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.580 -12.795 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.202 -10.741 6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.212 -10.063 4.781 1.00 0.00 H new ATOM 1041 N GLU A 65 -1.964 -15.142 3.437 1.00 0.00 N ATOM 1042 CA GLU A 65 -0.934 -16.181 3.149 1.00 0.00 C ATOM 1043 C GLU A 65 0.452 -15.532 3.154 1.00 0.00 C ATOM 1044 O GLU A 65 1.373 -16.007 3.789 1.00 0.00 O ATOM 1045 CB GLU A 65 -1.202 -16.797 1.773 1.00 0.00 C ATOM 1046 CG GLU A 65 -1.923 -18.136 1.939 1.00 0.00 C ATOM 1047 CD GLU A 65 -2.724 -18.445 0.672 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -3.030 -17.513 -0.053 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -3.019 -19.608 0.449 1.00 0.00 O ATOM 0 H GLU A 65 -2.600 -14.935 2.667 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.977 -16.960 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.808 -16.119 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.263 -16.943 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.200 -18.930 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.588 -18.099 2.802 1.00 0.00 H new ATOM 1056 N MET A 66 0.603 -14.449 2.445 1.00 0.00 N ATOM 1057 CA MET A 66 1.921 -13.755 2.392 1.00 0.00 C ATOM 1058 C MET A 66 2.188 -13.042 3.718 1.00 0.00 C ATOM 1059 O MET A 66 3.240 -12.475 3.923 1.00 0.00 O ATOM 1060 CB MET A 66 1.885 -12.717 1.278 1.00 0.00 C ATOM 1061 CG MET A 66 2.915 -13.072 0.204 1.00 0.00 C ATOM 1062 SD MET A 66 3.166 -11.646 -0.884 1.00 0.00 S ATOM 1063 CE MET A 66 3.110 -12.546 -2.452 1.00 0.00 C ATOM 0 H MET A 66 -0.136 -14.011 1.895 1.00 0.00 H new ATOM 0 HA MET A 66 2.708 -14.487 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.888 -12.676 0.839 1.00 0.00 H new ATOM 0 HB3 MET A 66 2.096 -11.728 1.684 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.858 -13.359 0.670 1.00 0.00 H new ATOM 0 HG3 MET A 66 2.572 -13.929 -0.375 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.246 -11.847 -3.278 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.905 -13.291 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.145 -13.042 -2.552 1.00 0.00 H new ATOM 1073 N LEU A 67 1.235 -13.049 4.606 1.00 0.00 N ATOM 1074 CA LEU A 67 1.420 -12.354 5.918 1.00 0.00 C ATOM 1075 C LEU A 67 2.850 -12.555 6.445 1.00 0.00 C ATOM 1076 O LEU A 67 3.350 -11.743 7.198 1.00 0.00 O ATOM 1077 CB LEU A 67 0.398 -12.888 6.935 1.00 0.00 C ATOM 1078 CG LEU A 67 0.933 -14.139 7.643 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -0.039 -14.542 8.752 1.00 0.00 C ATOM 1080 CD2 LEU A 67 1.060 -15.289 6.640 1.00 0.00 C ATOM 0 H LEU A 67 0.332 -13.506 4.483 1.00 0.00 H new ATOM 0 HA LEU A 67 1.259 -11.286 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.174 -12.116 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.537 -13.124 6.427 1.00 0.00 H new ATOM 0 HG LEU A 67 1.913 -13.923 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.336 -15.431 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.131 -13.727 9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.016 -14.756 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.440 -16.175 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.082 -15.508 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.748 -15.004 5.844 1.00 0.00 H new ATOM 1092 N VAL A 68 3.506 -13.623 6.066 1.00 0.00 N ATOM 1093 CA VAL A 68 4.898 -13.860 6.559 1.00 0.00 C ATOM 1094 C VAL A 68 5.672 -12.538 6.568 1.00 0.00 C ATOM 1095 O VAL A 68 6.289 -12.177 7.550 1.00 0.00 O ATOM 1096 CB VAL A 68 5.607 -14.872 5.651 1.00 0.00 C ATOM 1097 CG1 VAL A 68 6.009 -14.207 4.334 1.00 0.00 C ATOM 1098 CG2 VAL A 68 6.861 -15.394 6.358 1.00 0.00 C ATOM 0 H VAL A 68 3.140 -14.339 5.439 1.00 0.00 H new ATOM 0 HA VAL A 68 4.857 -14.260 7.572 1.00 0.00 H new ATOM 0 HB VAL A 68 4.928 -15.698 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.512 -14.935 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.118 -13.835 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.684 -13.376 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.368 -16.114 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.532 -14.562 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.577 -15.878 7.292 1.00 0.00 H new ATOM 1108 N ASP A 69 5.630 -11.806 5.489 1.00 0.00 N ATOM 1109 CA ASP A 69 6.348 -10.499 5.448 1.00 0.00 C ATOM 1110 C ASP A 69 5.582 -9.502 6.318 1.00 0.00 C ATOM 1111 O ASP A 69 4.371 -9.546 6.397 1.00 0.00 O ATOM 1112 CB ASP A 69 6.400 -9.979 4.007 1.00 0.00 C ATOM 1113 CG ASP A 69 6.428 -11.157 3.031 1.00 0.00 C ATOM 1114 OD1 ASP A 69 7.408 -11.884 3.038 1.00 0.00 O ATOM 1115 OD2 ASP A 69 5.468 -11.313 2.294 1.00 0.00 O ATOM 0 H ASP A 69 5.131 -12.055 4.635 1.00 0.00 H new ATOM 0 HA ASP A 69 7.366 -10.623 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.533 -9.349 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.284 -9.358 3.867 1.00 0.00 H new ATOM 1120 N VAL A 70 6.263 -8.600 6.969 1.00 0.00 N ATOM 1121 CA VAL A 70 5.526 -7.615 7.821 1.00 0.00 C ATOM 1122 C VAL A 70 4.878 -6.567 6.916 1.00 0.00 C ATOM 1123 O VAL A 70 5.090 -6.563 5.722 1.00 0.00 O ATOM 1124 CB VAL A 70 6.483 -6.931 8.805 1.00 0.00 C ATOM 1125 CG1 VAL A 70 7.350 -5.918 8.064 1.00 0.00 C ATOM 1126 CG2 VAL A 70 5.671 -6.201 9.874 1.00 0.00 C ATOM 0 H VAL A 70 7.278 -8.499 6.952 1.00 0.00 H new ATOM 0 HA VAL A 70 4.761 -8.138 8.395 1.00 0.00 H new ATOM 0 HB VAL A 70 7.119 -7.685 9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.028 -5.435 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.929 -6.429 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.713 -5.165 7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.348 -5.713 10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.037 -5.451 9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.048 -6.917 10.410 1.00 0.00 H new ATOM 1136 N ILE A 71 4.084 -5.687 7.466 1.00 0.00 N ATOM 1137 CA ILE A 71 3.422 -4.649 6.621 1.00 0.00 C ATOM 1138 C ILE A 71 3.124 -3.405 7.464 1.00 0.00 C ATOM 1139 O ILE A 71 3.012 -3.474 8.672 1.00 0.00 O ATOM 1140 CB ILE A 71 2.108 -5.206 6.068 1.00 0.00 C ATOM 1141 CG1 ILE A 71 2.310 -6.659 5.629 1.00 0.00 C ATOM 1142 CG2 ILE A 71 1.662 -4.367 4.870 1.00 0.00 C ATOM 1143 CD1 ILE A 71 0.972 -7.241 5.170 1.00 0.00 C ATOM 0 H ILE A 71 3.865 -5.642 8.461 1.00 0.00 H new ATOM 0 HA ILE A 71 4.086 -4.380 5.799 1.00 0.00 H new ATOM 0 HB ILE A 71 1.343 -5.166 6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.038 -6.708 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.711 -7.247 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.726 -4.764 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.514 -3.334 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.427 -4.405 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.113 -8.275 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.258 -7.205 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.590 -6.658 4.332 1.00 0.00 H new ATOM 1155 N THR A 72 2.984 -2.268 6.833 1.00 0.00 N ATOM 1156 CA THR A 72 2.680 -1.023 7.593 1.00 0.00 C ATOM 1157 C THR A 72 1.854 -0.079 6.717 1.00 0.00 C ATOM 1158 O THR A 72 1.938 -0.104 5.505 1.00 0.00 O ATOM 1159 CB THR A 72 3.975 -0.329 8.031 1.00 0.00 C ATOM 1160 OG1 THR A 72 4.976 -1.306 8.283 1.00 0.00 O ATOM 1161 CG2 THR A 72 3.714 0.468 9.310 1.00 0.00 C ATOM 0 H THR A 72 3.067 -2.150 5.823 1.00 0.00 H new ATOM 0 HA THR A 72 2.111 -1.285 8.485 1.00 0.00 H new ATOM 0 HB THR A 72 4.312 0.342 7.241 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.072 -1.886 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.633 0.963 9.624 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.945 1.217 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.378 -0.207 10.097 1.00 0.00 H new ATOM 1169 N ILE A 73 1.050 0.746 7.329 1.00 0.00 N ATOM 1170 CA ILE A 73 0.197 1.694 6.556 1.00 0.00 C ATOM 1171 C ILE A 73 0.226 3.064 7.249 1.00 0.00 C ATOM 1172 O ILE A 73 0.557 3.168 8.414 1.00 0.00 O ATOM 1173 CB ILE A 73 -1.242 1.135 6.484 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -2.276 2.276 6.480 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -1.503 0.212 7.680 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -2.490 2.799 7.904 1.00 0.00 C ATOM 0 H ILE A 73 0.946 0.805 8.342 1.00 0.00 H new ATOM 0 HA ILE A 73 0.572 1.810 5.539 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.343 0.571 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.933 3.085 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.221 1.919 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.519 -0.179 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.794 -0.616 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.381 0.774 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.223 3.606 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.853 1.990 8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.546 3.174 8.300 1.00 0.00 H new ATOM 1188 N GLY A 74 -0.099 4.119 6.545 1.00 0.00 N ATOM 1189 CA GLY A 74 -0.065 5.465 7.184 1.00 0.00 C ATOM 1190 C GLY A 74 -0.921 6.457 6.403 1.00 0.00 C ATOM 1191 O GLY A 74 -0.427 7.412 5.835 1.00 0.00 O ATOM 0 H GLY A 74 -0.383 4.106 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.426 5.395 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.963 5.824 7.232 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.200 6.243 6.402 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.132 7.163 5.704 1.00 0.00 C ATOM 1197 C GLY A 75 -4.226 7.570 6.695 1.00 0.00 C ATOM 1198 O GLY A 75 -4.000 8.355 7.595 1.00 0.00 O ATOM 0 H GLY A 75 -2.649 5.453 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.599 8.042 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.569 6.674 4.833 1.00 0.00 H new ATOM 1202 N ASN A 76 -5.406 7.043 6.541 1.00 0.00 N ATOM 1203 CA ASN A 76 -6.514 7.396 7.477 1.00 0.00 C ATOM 1204 C ASN A 76 -7.638 6.380 7.299 1.00 0.00 C ATOM 1205 O ASN A 76 -7.395 5.220 7.029 1.00 0.00 O ATOM 1206 CB ASN A 76 -7.030 8.800 7.148 1.00 0.00 C ATOM 1207 CG ASN A 76 -7.631 9.433 8.404 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -8.824 9.655 8.475 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -6.851 9.734 9.405 1.00 0.00 N ATOM 0 H ASN A 76 -5.655 6.381 5.806 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.158 7.381 8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.216 9.419 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.781 8.747 6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.242 10.156 10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.850 9.548 9.345 1.00 0.00 H new ATOM 1216 N VAL A 77 -8.868 6.797 7.413 1.00 0.00 N ATOM 1217 CA VAL A 77 -9.978 5.828 7.206 1.00 0.00 C ATOM 1218 C VAL A 77 -11.324 6.556 7.145 1.00 0.00 C ATOM 1219 O VAL A 77 -11.913 6.881 8.156 1.00 0.00 O ATOM 1220 CB VAL A 77 -9.993 4.813 8.350 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -10.135 5.546 9.686 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -11.173 3.856 8.166 1.00 0.00 C ATOM 0 H VAL A 77 -9.150 7.751 7.637 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.819 5.311 6.260 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.061 4.248 8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.145 4.821 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.295 6.228 9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.066 6.113 9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.185 3.132 8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.105 4.422 8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.071 3.331 7.216 1.00 0.00 H new ATOM 1232 N ASP A 78 -11.817 6.802 5.960 1.00 0.00 N ATOM 1233 CA ASP A 78 -13.129 7.495 5.823 1.00 0.00 C ATOM 1234 C ASP A 78 -14.147 6.539 5.198 1.00 0.00 C ATOM 1235 O ASP A 78 -13.914 5.955 4.156 1.00 0.00 O ATOM 1236 CB ASP A 78 -12.995 8.735 4.932 1.00 0.00 C ATOM 1237 CG ASP A 78 -11.545 8.915 4.469 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -10.665 8.869 5.312 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -11.342 9.096 3.280 1.00 0.00 O ATOM 0 H ASP A 78 -11.366 6.552 5.080 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.463 7.805 6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.649 8.639 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.320 9.620 5.480 1.00 0.00 H new ATOM 1244 N GLU A 79 -15.276 6.380 5.827 1.00 0.00 N ATOM 1245 CA GLU A 79 -16.316 5.465 5.276 1.00 0.00 C ATOM 1246 C GLU A 79 -17.654 6.203 5.186 1.00 0.00 C ATOM 1247 O GLU A 79 -17.938 7.089 5.968 1.00 0.00 O ATOM 1248 CB GLU A 79 -16.465 4.250 6.194 1.00 0.00 C ATOM 1249 CG GLU A 79 -17.046 4.689 7.540 1.00 0.00 C ATOM 1250 CD GLU A 79 -17.619 3.472 8.270 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -18.653 2.984 7.845 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -17.013 3.050 9.241 1.00 0.00 O ATOM 0 H GLU A 79 -15.525 6.844 6.700 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.017 5.135 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.116 3.509 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.496 3.774 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.272 5.159 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.826 5.434 7.386 1.00 0.00 H new ATOM 1259 N ASP A 80 -18.481 5.843 4.242 1.00 0.00 N ATOM 1260 CA ASP A 80 -19.803 6.522 4.112 1.00 0.00 C ATOM 1261 C ASP A 80 -20.918 5.548 4.520 1.00 0.00 C ATOM 1262 O ASP A 80 -21.126 5.293 5.690 1.00 0.00 O ATOM 1263 CB ASP A 80 -20.004 6.974 2.663 1.00 0.00 C ATOM 1264 CG ASP A 80 -19.393 8.363 2.470 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -19.790 9.268 3.185 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -18.538 8.497 1.609 1.00 0.00 O ATOM 0 H ASP A 80 -18.299 5.110 3.556 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.835 7.395 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.538 6.263 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.067 6.996 2.422 1.00 0.00 H new ATOM 1271 N ASP A 81 -21.631 4.993 3.573 1.00 0.00 N ATOM 1272 CA ASP A 81 -22.718 4.035 3.925 1.00 0.00 C ATOM 1273 C ASP A 81 -22.240 2.614 3.631 1.00 0.00 C ATOM 1274 O ASP A 81 -22.254 1.751 4.487 1.00 0.00 O ATOM 1275 CB ASP A 81 -23.961 4.339 3.086 1.00 0.00 C ATOM 1276 CG ASP A 81 -24.869 5.305 3.850 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -24.959 5.170 5.059 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -25.460 6.162 3.214 1.00 0.00 O ATOM 0 H ASP A 81 -21.507 5.162 2.575 1.00 0.00 H new ATOM 0 HA ASP A 81 -22.966 4.131 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.670 4.775 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -24.498 3.417 2.865 1.00 0.00 H new ATOM 1283 N ASP A 82 -21.799 2.373 2.429 1.00 0.00 N ATOM 1284 CA ASP A 82 -21.296 1.019 2.068 1.00 0.00 C ATOM 1285 C ASP A 82 -19.943 1.192 1.392 1.00 0.00 C ATOM 1286 O ASP A 82 -19.013 0.440 1.610 1.00 0.00 O ATOM 1287 CB ASP A 82 -22.270 0.343 1.099 1.00 0.00 C ATOM 1288 CG ASP A 82 -23.567 -0.005 1.831 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -23.496 -0.299 3.013 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -24.609 0.029 1.197 1.00 0.00 O ATOM 0 H ASP A 82 -21.765 3.060 1.676 1.00 0.00 H new ATOM 0 HA ASP A 82 -21.205 0.398 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.481 1.005 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.820 -0.560 0.687 1.00 0.00 H new ATOM 1295 N ARG A 83 -19.837 2.199 0.575 1.00 0.00 N ATOM 1296 CA ARG A 83 -18.565 2.474 -0.131 1.00 0.00 C ATOM 1297 C ARG A 83 -17.417 2.522 0.875 1.00 0.00 C ATOM 1298 O ARG A 83 -17.593 2.286 2.053 1.00 0.00 O ATOM 1299 CB ARG A 83 -18.680 3.828 -0.827 1.00 0.00 C ATOM 1300 CG ARG A 83 -20.032 3.933 -1.537 1.00 0.00 C ATOM 1301 CD ARG A 83 -20.832 5.093 -0.945 1.00 0.00 C ATOM 1302 NE ARG A 83 -22.088 4.572 -0.321 1.00 0.00 N ATOM 1303 CZ ARG A 83 -22.873 3.745 -0.964 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -22.690 3.500 -2.235 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -23.887 3.206 -0.345 1.00 0.00 N ATOM 0 H ARG A 83 -20.592 2.852 0.365 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.369 1.688 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.578 4.632 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -17.871 3.947 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -19.882 4.089 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -20.586 3.001 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -20.234 5.617 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -21.074 5.816 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 83 -22.337 4.867 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -21.928 3.955 -2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -23.309 2.853 -2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -24.064 3.430 0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -24.503 2.561 -0.840 1.00 0.00 H new ATOM 1319 N PHE A 84 -16.245 2.838 0.411 1.00 0.00 N ATOM 1320 CA PHE A 84 -15.069 2.919 1.315 1.00 0.00 C ATOM 1321 C PHE A 84 -13.994 3.761 0.630 1.00 0.00 C ATOM 1322 O PHE A 84 -13.417 3.358 -0.360 1.00 0.00 O ATOM 1323 CB PHE A 84 -14.527 1.512 1.582 1.00 0.00 C ATOM 1324 CG PHE A 84 -13.875 1.468 2.944 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -13.315 2.628 3.491 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -13.831 0.265 3.659 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -12.711 2.585 4.753 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -13.226 0.222 4.921 1.00 0.00 C ATOM 1329 CZ PHE A 84 -12.666 1.383 5.468 1.00 0.00 C ATOM 0 H PHE A 84 -16.049 3.046 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 84 -15.355 3.373 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.337 0.784 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.805 1.238 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.349 3.556 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.264 -0.630 3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.279 3.480 5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.191 -0.706 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.199 1.351 6.442 1.00 0.00 H new ATOM 1339 N VAL A 85 -13.725 4.931 1.135 1.00 0.00 N ATOM 1340 CA VAL A 85 -12.693 5.789 0.491 1.00 0.00 C ATOM 1341 C VAL A 85 -11.638 6.162 1.520 1.00 0.00 C ATOM 1342 O VAL A 85 -11.945 6.383 2.675 1.00 0.00 O ATOM 1343 CB VAL A 85 -13.352 7.058 -0.051 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -14.155 7.735 1.062 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -12.270 8.016 -0.551 1.00 0.00 C ATOM 0 H VAL A 85 -14.172 5.329 1.961 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.225 5.246 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.020 6.798 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -14.624 8.639 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.925 7.053 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.489 7.996 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.737 8.922 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.604 8.274 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.697 7.536 -1.344 1.00 0.00 H new ATOM 1355 N LEU A 86 -10.393 6.244 1.132 1.00 0.00 N ATOM 1356 CA LEU A 86 -9.372 6.615 2.146 1.00 0.00 C ATOM 1357 C LEU A 86 -8.208 7.332 1.492 1.00 0.00 C ATOM 1358 O LEU A 86 -7.616 6.848 0.555 1.00 0.00 O ATOM 1359 CB LEU A 86 -8.877 5.319 2.806 1.00 0.00 C ATOM 1360 CG LEU A 86 -7.717 5.597 3.766 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -6.423 5.822 2.981 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -8.034 6.831 4.605 1.00 0.00 C ATOM 0 H LEU A 86 -10.049 6.076 0.187 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.808 7.286 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.697 4.847 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.557 4.615 2.038 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.584 4.736 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.606 6.019 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.194 4.933 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.546 6.675 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.208 7.028 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.176 7.690 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.945 6.657 5.178 1.00 0.00 H new ATOM 1374 N GLU A 87 -7.843 8.465 2.029 1.00 0.00 N ATOM 1375 CA GLU A 87 -6.693 9.217 1.484 1.00 0.00 C ATOM 1376 C GLU A 87 -5.640 9.323 2.542 1.00 0.00 C ATOM 1377 O GLU A 87 -5.803 8.847 3.647 1.00 0.00 O ATOM 1378 CB GLU A 87 -7.075 10.654 1.119 1.00 0.00 C ATOM 1379 CG GLU A 87 -8.584 10.865 1.262 1.00 0.00 C ATOM 1380 CD GLU A 87 -8.913 11.256 2.704 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -8.103 10.975 3.572 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -9.968 11.830 2.915 1.00 0.00 O ATOM 0 H GLU A 87 -8.301 8.900 2.830 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.350 8.686 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.542 11.352 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.768 10.868 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.919 11.645 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.116 9.953 0.991 1.00 0.00 H new ATOM 1389 N TRP A 88 -4.572 9.979 2.219 1.00 0.00 N ATOM 1390 CA TRP A 88 -3.505 10.158 3.253 1.00 0.00 C ATOM 1391 C TRP A 88 -4.182 10.519 4.586 1.00 0.00 C ATOM 1392 O TRP A 88 -4.507 9.669 5.380 1.00 0.00 O ATOM 1393 CB TRP A 88 -2.551 11.300 2.882 1.00 0.00 C ATOM 1394 CG TRP A 88 -1.808 11.716 4.122 1.00 0.00 C ATOM 1395 CD1 TRP A 88 -1.450 10.870 5.118 1.00 0.00 C ATOM 1396 CD2 TRP A 88 -1.361 13.041 4.534 1.00 0.00 C ATOM 1397 NE1 TRP A 88 -0.785 11.584 6.096 1.00 0.00 N ATOM 1398 CE2 TRP A 88 -0.708 12.927 5.786 1.00 0.00 C ATOM 1399 CE3 TRP A 88 -1.446 14.314 3.949 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 -0.162 14.037 6.430 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 -0.899 15.435 4.596 1.00 0.00 C ATOM 1402 CH2 TRP A 88 -0.257 15.296 5.833 1.00 0.00 C ATOM 0 H TRP A 88 -4.384 10.395 1.307 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.933 9.233 3.324 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -1.852 10.976 2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.108 12.143 2.473 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -1.652 9.809 5.143 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -0.398 11.169 6.944 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.936 14.433 2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.331 13.924 7.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.974 16.410 4.137 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.164 16.161 6.324 1.00 0.00 H new ATOM 1413 N LYS A 89 -4.397 11.782 4.828 1.00 0.00 N ATOM 1414 CA LYS A 89 -5.052 12.191 6.102 1.00 0.00 C ATOM 1415 C LYS A 89 -5.478 13.657 6.010 1.00 0.00 C ATOM 1416 O LYS A 89 -5.418 14.394 6.974 1.00 0.00 O ATOM 1417 CB LYS A 89 -4.070 12.016 7.262 1.00 0.00 C ATOM 1418 CG LYS A 89 -4.841 11.988 8.583 1.00 0.00 C ATOM 1419 CD LYS A 89 -4.268 13.041 9.534 1.00 0.00 C ATOM 1420 CE LYS A 89 -5.169 13.163 10.765 1.00 0.00 C ATOM 1421 NZ LYS A 89 -4.328 13.247 11.993 1.00 0.00 N ATOM 0 H LYS A 89 -4.148 12.547 4.201 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.930 11.568 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.506 11.092 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.348 12.832 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.898 12.183 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.772 10.999 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.258 12.763 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.195 14.003 9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.798 14.049 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.836 12.303 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.941 13.330 12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.746 12.389 12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.709 14.081 11.934 1.00 0.00 H new ATOM 1435 N ASN A 90 -5.912 14.086 4.857 1.00 0.00 N ATOM 1436 CA ASN A 90 -6.344 15.503 4.705 1.00 0.00 C ATOM 1437 C ASN A 90 -7.839 15.614 5.008 1.00 0.00 C ATOM 1438 O ASN A 90 -8.526 16.293 4.264 1.00 0.00 O ATOM 1439 CB ASN A 90 -6.077 15.966 3.271 1.00 0.00 C ATOM 1440 CG ASN A 90 -5.681 17.444 3.277 1.00 0.00 C ATOM 1441 OD1 ASN A 90 -5.014 17.904 4.182 1.00 0.00 O ATOM 1442 ND2 ASN A 90 -6.066 18.212 2.294 1.00 0.00 N ATOM 1443 OXT ASN A 90 -8.273 15.015 5.979 1.00 0.00 O ATOM 0 H ASN A 90 -5.986 13.516 4.014 1.00 0.00 H new ATOM 0 HA ASN A 90 -5.785 16.131 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.282 15.367 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -6.967 15.819 2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.807 19.198 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.626 17.826 1.534 1.00 0.00 H new TER 1450 ASN A 90